N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H22F2N4O3 — CID 68616391

About N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68616391) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68616391
• Molecular Formula: C24H22F2N4O3
• Molecular Weight: 452.46 g/mol
• Exact Mass: 452.17
• IUPAC Name: N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5CNCC54)c(F)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H22F2N4O3/c1-13(31)29-8-16-11-30(23(32)33-16)15-3-4-17(21(25)7-15)14-2-5-18(22(26)6-14)24(12-27)19-9-28-10-20(19)24/h2-7,16,19-20,28H,8-11H2,1H3,(H,29,31)/t16-,19?,20?,24?/m0/s1
• InChIKey: HZBVFHVQMPUMHW-QHVIDTJBSA-N
• XLogP: 2.70
• TPSA: 94.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68616391) is N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4(C#N)C5CNCC54)c(F)c3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is HZBVFHVQMPUMHW-QHVIDTJBSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-13(31)29-8-16-11-30(23(32)33-16)15-3-4-17(21(25)7-15)14-2-5-18(22(26)6-14)24(12-27)19-9-28-10-20(19)24/h2-7,16,19-20,28H,8-11H2,1H3,(H,29,31)/t16-,19?,20?,24?/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 452.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-(6-cyano-3-azabicyclo[3.1.0]hexan-6-yl)-3-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68616391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).